4-oxidanylidene-3-[phenyl(phenylsulfonyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[phenyl(phenylsulfonyl)amino]butanoic acid Openeye Name: 3-[N-(benzenesulfonyl)anilino]-4-oxo-butanoic acid CAS Name: 3-[N-(benzenesulfonyl)anilino]-4-oxobutanoic acid IUPAC Name: 3-[N-(benzenesulfonyl)anilino]-4-oxobutanoic acid Traditional Name: 3-(N-besylanilino)-4-keto-butyric acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CC(=O)O)C=O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)N(C(CC(=O)O)C=O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO5S/c18-12-14(11-16(19)20)17(13-7-3-1-4-8-13)23(21,22)15-9-5-2-6-10-15/h1-10,12,14H,11H2,(H,19,20)